UCSF

ZINC12480347

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 26 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 11.01 -11.37 3 8 0 95 358.446 9
Lo Low (pH 4.5-6) 3.50 11.43 -26.01 4 8 1 97 359.454 9
Lo Low (pH 4.5-6) 3.50 11.43 -24.95 4 8 1 97 359.454 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )